ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate

C11H16N2O4S — CID 2163039

IUPACethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOCC(=O)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C11H16N2O4S/c1-3-16-6-9(14)13-11-12-8(7-18-11)5-10(15)17-4-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyFKIRZLBIDNMMRL-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.22
Rot. Bonds7

About ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 2163039) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID2163039
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOCC(=O)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C11H16N2O4S/c1-3-16-6-9(14)13-11-12-8(7-18-11)5-10(15)17-4-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyFKIRZLBIDNMMRL-UHFFFAOYSA-N
XLogP1.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2253148
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CID 732359
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CID 787338
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CID 1717182
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CID 688091
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CID 54551034
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CID 732358
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 2163039) is ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate is CCOCC(=O)Nc1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FKIRZLBIDNMMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-16-6-9(14)13-11-12-8(7-18-11)5-10(15)17-4-2/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 272.33 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2163039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).